2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide

C14H18FN3O2S — CID 138046678

IUPAC2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCc1ccc(F)c2cccnc12
InChIInChI=1S/C14H18FN3O2S/c1-18(2)21(19,20)9-8-16-10-11-5-6-13(15)12-4-3-7-17-14(11)12/h3-7,16H,8-10H2,1-2H3
InChIKeyPCOOGWFOGZFXFS-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.35
Rot. Bonds6

About 2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide

2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide (PubChem CID 138046678) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide
PubChem CID138046678
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCc1ccc(F)c2cccnc12
InChIInChI=1S/C14H18FN3O2S/c1-18(2)21(19,20)9-8-16-10-11-5-6-13(15)12-4-3-7-17-14(11)12/h3-7,16H,8-10H2,1-2H3
InChIKeyPCOOGWFOGZFXFS-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Sumatriptan
CID 5358
Naratriptan
CID 4440
Naratriptan Hydrochloride
CID 60875
Vonoprazan
CID 15981397
8-(Methylsulfonylamino)quinoline
CID 151506
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
Quinolin-3-ylmethanamine
CID 6483745
8-Methylquinolin-4-amine
CID 16767370
8-(Trifluoromethyl)quinolin-4-amine
CID 2735961
(3H)sumatriptan
CID 53325948
N-[2-(4-fluorophenyl)ethyl]-8-quinolinesulfonamide
CID 16189761
Fluoroquine
CID 95480

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide (CID 138046678) is 2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNCc1ccc(F)c2cccnc12.
What is the InChIKey of 2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide?
The InChIKey is PCOOGWFOGZFXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-18(2)21(19,20)9-8-16-10-11-5-6-13(15)12-4-3-7-17-14(11)12/h3-7,16H,8-10H2,1-2H3.
What are the key properties of 2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide?
2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide has a molecular weight of 311.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 138046678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).